CID 3054834

71795-48-7

Structural Information

Molecular Formula
C13H14N4O2S
SMILES
CC1=CN=C(N1C=C=C)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H14N4O2S/c1-3-8-17-10(2)9-15-13(17)16-20(18,19)12-6-4-11(14)5-7-12/h4-9H,1,14H2,2H3,(H,15,16)
InChIKey
NYDAMWQCZZKXAJ-UHFFFAOYSA-N
Compound name
4-amino-N-(5-methyl-1-propa-1,2-dienylimidazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.08374 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09102 166.6
[M+Na]+ 313.07296 176.3
[M-H]- 289.07646 171.3
[M+NH4]+ 308.11756 181.3
[M+K]+ 329.04690 170.1
[M+H-H2O]+ 273.08100 158.9
[M+HCOO]- 335.08194 185.3
[M+CH3COO]- 349.09759 201.5
[M+Na-2H]- 311.05841 168.4
[M]+ 290.08319 167.5
[M]- 290.08429 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.